Phenyl(phenylsulfonyl)acetic acid

Base Information

• Chemical Name: Phenyl(phenylsulfonyl)acetic acid
• CAS No.: 70683-04-4
• Molecular Formula: C14H12O4S
• Molecular Weight: 276.313
• NSC Number: 122519
• DSSTox Substance ID: DTXSID90298318
• Mol file: 70683-04-4.mol

Synonyms:70683-04-4;phenyl(phenylsulfonyl)acetic acid;NSC122519;2-(benzenesulfonyl)-2-phenylacetic acid;SCHEMBL11092157;DTXSID90298318;NSC-122519

Chemical Property of Phenyl(phenylsulfonyl)acetic acid

Chemical Property:

• Vapor Pressure: 4.04E-11mmHg at 25°C
• Boiling Point: 507.5°Cat760mmHg
• Flash Point: 260.7°C
• Density: 1.355g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 276.04563003
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Technology Process of Phenyl(phenylsulfonyl)acetic acid

There total 18 articles about Phenyl(phenylsulfonyl)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

2-phenyl-2-(phenylthio)acetic acid (10490-07-0) → α-benzenesulfonyl-phenylacetic acid (70683-04-4)

Guidance literature:

With dihydrogen peroxide; In methanol; at 40 ℃; for 1.16667h; chemoselective reaction;

DOI:10.1039/c4ra06132b

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + Benzyl phenyl sulfone (3112-88-7) → α-benzenesulfonyl-phenylacetic acid (70683-04-4)

Guidance literature:

Benzyl phenyl sulfone; With n-butyllithium; In tetrahydrofuran; hexane; at 20 ℃; for 0.5h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

With hydrogenchloride; In water; pH=2;

DOI:10.1021/ol801951e

Reference yield:

Benzyl phenyl sulfone (3112-88-7) → α-benzenesulfonyl-phenylacetic acid (70683-04-4)

Guidance literature:

With n-butyllithium; diethyl ether; anschliessendes Behandeln mit CO₂;

DOI:10.1021/jo01359a610

upstream raw materials:

Benzyl phenyl sulfone

2-phenyl-2-(phenylthio)acetic acid

benzenesulfinyl-phenyl-acetic acid

Chloro-phenyl-acetic acid

Downstream raw materials:

((bromo(phenyl)methyl)sulfonyl)benzene

α-methylsulfanylbenzyl phenylsulfone

[(phenylmethyl-d₂)sulfonyl]benzene

Benzyl phenyl sulfone